Crystallography Open Database

Information card for entry 4031863

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Coordinates	4031863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O4
Calculated formula	C16 H19 N O4
SMILES	O1c2c(C(=O)C31N(C(=O)OC(C)(C)C)CCC3)cccc2
Title of publication	A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.
Authors of publication	Picado, Alfredo; Li, ShengJian; Dieter, R. Karl
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	4
Pages of publication	1391 - 1400
a	10.49 ± 0.002 Å
b	14.202 ± 0.003 Å
c	20.974 ± 0.004 Å
α	90°
β	103.52 ± 0.03°
γ	90°
Cell volume	3038.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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